O2-tert-butyl O4-methyl 3-ethyl-5-[[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-methyl 3-ethyl-5-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester IUPAC Name: 2-O-tert-butyl 4-O-methyl 3-ethyl-5-[[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-[[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]methyl]-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNCC2=C(C(=NC=C2CO)C)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNCC2=C(C(=NC=C2CO)C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O6/c1-7-14-17(20(28)30-6)16(25-18(14)21(29)31-22(3,4)5)10-23-9-15-13(11-26)8-24-12(2)19(15)27/h8,23,25-27H,7,9-11H2,1-6H3